2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide

C14H18N2O — CID 115188283

IUPAC2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1ccc(C)cc1C
InChIInChI=1S/C14H18N2O/c1-4-12(8-15)14(17)16-9-13-6-5-10(2)7-11(13)3/h5-7,12H,4,9H2,1-3H3,(H,16,17)
InChIKeyIXGOHNVSCSNUSQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.47
Rot. Bonds4

About 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide

2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide (PubChem CID 115188283) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
PubChem CID115188283
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1ccc(C)cc1C
InChIInChI=1S/C14H18N2O/c1-4-12(8-15)14(17)16-9-13-6-5-10(2)7-11(13)3/h5-7,12H,4,9H2,1-3H3,(H,16,17)
InChIKeyIXGOHNVSCSNUSQ-UHFFFAOYSA-N
XLogP2.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 75871769
2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 55209942
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 115116507

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide?
The IUPAC name of 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide (CID 115188283) is 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide.
What is the SMILES notation for 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide?
The canonical SMILES for 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide is CCC(C#N)C(=O)NCc1ccc(C)cc1C.
What is the InChIKey of 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide?
The InChIKey is IXGOHNVSCSNUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-12(8-15)14(17)16-9-13-6-5-10(2)7-11(13)3/h5-7,12H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide?
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide has a molecular weight of 230.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115188283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).